1,3,3,3-tetrafluoropropan-1-ol;hydrate

C3H6F4O2 — CID 153370161

IUPAC1,3,3,3-tetrafluoropropan-1-ol;hydrate
SMILESO.OC(F)CC(F)(F)F
InChIInChI=1S/C3H4F4O.H2O/c4-2(8)1-3(5,6)7;/h2,8H,1H2;1H2
InChIKeyUTQWVUHITXZYSF-UHFFFAOYSA-N
MW150.07 g/mol
LogP0.40
Rot. Bonds1

About 1,3,3,3-tetrafluoropropan-1-ol;hydrate

1,3,3,3-tetrafluoropropan-1-ol;hydrate (PubChem CID 153370161) has the molecular formula C3H6F4O2 and a molecular weight of 150.07 g/mol. Its IUPAC name is 1,3,3,3-tetrafluoropropan-1-ol;hydrate.

Molecular Properties

Compound Name1,3,3,3-tetrafluoropropan-1-ol;hydrate
PubChem CID153370161
Molecular FormulaC3H6F4O2
Molecular Weight150.07 g/mol
Exact Mass150.03
IUPAC Name1,3,3,3-tetrafluoropropan-1-ol;hydrate
SMILESO.OC(F)CC(F)(F)F
InChIInChI=1S/C3H4F4O.H2O/c4-2(8)1-3(5,6)7;/h2,8H,1H2;1H2
InChIKeyUTQWVUHITXZYSF-UHFFFAOYSA-N
XLogP0.40
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.07
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,3,3-tetrafluoropropan-1-ol;hydrate?
The IUPAC name of 1,3,3,3-tetrafluoropropan-1-ol;hydrate (CID 153370161) is 1,3,3,3-tetrafluoropropan-1-ol;hydrate.
What is the SMILES notation for 1,3,3,3-tetrafluoropropan-1-ol;hydrate?
The canonical SMILES for 1,3,3,3-tetrafluoropropan-1-ol;hydrate is O.OC(F)CC(F)(F)F.
What is the InChIKey of 1,3,3,3-tetrafluoropropan-1-ol;hydrate?
The InChIKey is UTQWVUHITXZYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F4O.H2O/c4-2(8)1-3(5,6)7;/h2,8H,1H2;1H2.
What are the key properties of 1,3,3,3-tetrafluoropropan-1-ol;hydrate?
1,3,3,3-tetrafluoropropan-1-ol;hydrate has a molecular weight of 150.07 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,3-tetrafluoropropan-1-ol;hydrate is sourced from PubChem (CID 153370161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).